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Baicalein monohydrate

CAT: 0013-GTR19211279-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211279-03Size:100 mg
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Description
Baicalein monohydrate is a multi-target small molecule that inhibits 12-lipoxygenase, leukotriene production, lysosomal enzyme release, and calcium signaling. It is widely used in vitro and in vivo for research on inflammation, arthritis, and related signaling pathways.
CAS Number
352000-07-8
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research
Smiles
O=C1C=2C (OC (=C1) C3=CC=CC=C3) =CC (O) =C (O) C2O.O
Molecular Formula
C15H12O6
Molecular Weight
288.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Baicalein monohydrate
CAS Number352000-07-8
PubChem CID5702782
IUPAC Name5,6,7-trihydroxy-2-phenylchromen-4-one;hydrate
Molecular FormulaC15H12O6
Molecular Weight288.25
Topological Polar Surface Area88
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity412
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O.O
InChI
InChI=1S/C15H10O5.H2O/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12;/h1-7,17-19H;1H2
InChIKey
NPXBMGZSFXMEQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Baicalein monohydrate
CAS: 352000-07-8
CID: 5702782
Formula: C15H12O6
MW: 288.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.25
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass288.06338810
Monoisotopic Mass288.06338810
Topological Polar Surface Area88 Ų
Heavy Atom Count21
Formal Charge0
Complexity412
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes